Compound Detail
CHEMBL5282452
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Basic Information
| ChEMBL ID | CHEMBL5282452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJWOBZCZCISQBL-VXSFFCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.22
ALogP
4
HBA
1
HBD
45.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Menin to MLL (unknown origin) protein-protein interaction | 34726905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34726905 | 10.1021/acs.jmedchem.1c00872 | MV4-11 | 1 |
| 34726905 | 10.1021/acs.jmedchem.1c00872 | Menin/Histone-lysine N-methyltransferase MLL | 1 |
| 34726905 | 10.1021/acs.jmedchem.1c00872 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine